N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine

C12H17N5O2S — CID 174414714

IUPACN-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine
SMILESCC(=O)NCc1occc1C.NC(N)=Nc1nccs1
InChIInChI=1S/C8H11NO2.C4H6N4S/c1-6-3-4-11-8(6)5-9-7(2)10;5-3(6)8-4-7-1-2-9-4/h3-4H,5H2,1-2H3,(H,9,10);1-2H,(H4,5,6,7,8)
InChIKeyABICALNGOHRSIF-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.27
Rot. Bonds3

About N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine

N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine (PubChem CID 174414714) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine
PubChem CID174414714
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC NameN-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine
SMILESCC(=O)NCc1occc1C.NC(N)=Nc1nccs1
InChIInChI=1S/C8H11NO2.C4H6N4S/c1-6-3-4-11-8(6)5-9-7(2)10;5-3(6)8-4-7-1-2-9-4/h3-4H,5H2,1-2H3,(H,9,10);1-2H,(H4,5,6,7,8)
InChIKeyABICALNGOHRSIF-UHFFFAOYSA-N
XLogP1.27
TPSA119.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine?
The IUPAC name of N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine (CID 174414714) is N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine?
The canonical SMILES for N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine is CC(=O)NCc1occc1C.NC(N)=Nc1nccs1.
What is the InChIKey of N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine?
The InChIKey is ABICALNGOHRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C4H6N4S/c1-6-3-4-11-8(6)5-9-7(2)10;5-3(6)8-4-7-1-2-9-4/h3-4H,5H2,1-2H3,(H,9,10);1-2H,(H4,5,6,7,8).
What are the key properties of N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine?
N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine has a molecular weight of 295.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)methyl]acetamide;2-(1,3-thiazol-2-yl)guanidine is sourced from PubChem (CID 174414714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).